U4Pd
Alexandria ALEXAlex-ID: agm017139784 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_1774_spg2
UPd U
2024-09-13 12:39:56.287820
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017139784).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm017139784
data_agm017139784
_cell_length_a 4.73617
_cell_length_b 6.23339
_cell_length_c 7.32854
_cell_angle_alpha 106.03783
_cell_angle_beta 108.80690
_cell_angle_gamma 89.97454
_cell_volume 195.89767
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
U1 U 0.91531 0.84752 0.33226 1.00000
U2 U 0.08469 0.15248 0.66774 1.00000
U3 U 0.73139 0.58455 0.96287 1.00000
U4 U 0.26861 0.41545 0.03713 1.00000
U5 U 0.46062 0.70677 0.42261 1.00000
U6 U 0.29838 0.02504 0.09737 1.00000
U7 U 0.53938 0.29323 0.57739 1.00000
U8 U 0.70162 0.97496 0.90263 1.00000
Pd1 Pd 0.09803 0.65951 0.69558 1.00000
Pd2 Pd 0.90197 0.34049 0.30442 1.00000
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